![Dimethyl [3-methyl-3-(methylthio)butyl]phosphate](/api/spectrum/EKj4O89qK3p/structure.png?h=300&w=458 "Dimethyl [3-methyl-3-(methylthio)butyl]phosphate")
| SpectraBase Compound ID | F27TVd3p1z2 |
|---|---|
| InChI | InChI=1S/C8H19O4PS/c1-8(2,14-5)6-7-12-13(9,10-3)11-4/h6-7H2,1-5H3 |
| InChIKey | CBISQEUHGNXSSS-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C8H19O4PS |
| Exact Mass | 242.074167 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKj4O89qK3p |
|---|---|
| Name | Dimethyl [3-methyl-3-(methylthio)butyl]phosphate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.074167260 u |
| Formula | C8H19O4PS |
| InChI | InChI=1S/C8H19O4PS/c1-8(2,14-5)6-7-12-13(9,10-3)11-4/h6-7H2,1-5H3 |
| InChIKey | CBISQEUHGNXSSS-UHFFFAOYSA-N |
| Molecular Weight | 242.270 g/mol |
| SMILES | C(OP(=O)(OC)OC)CC(SC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864857 |